Ore is a crucial component in the process of industrialization, and its crushing is a practice that is inextricably linked to our society. This study aims to simulate the crushing process of minerals in a comminution device using the Discrete Element Method (DEM) by characterizing the bonding parameters of mineral particles. Utilizing the EDEM software (2018) for discrete element simulations, the study investigated the influence of bonding parameters on the compressive strength and other performance indicators of the particle bonding model. The study was executed through the application of a Box–Behnken Design (BBD) and Response Surface Methodology (RSM), which facilitated the construction of a second-order response surface regression model. The optimal values for normal stiffness per unit area, shear stiffness per unit area, critical normal stress, and critical shear stress were meticulously determined. The subsequent simulation experiments strongly verify the feasibility of the proposed characterization method for key parameters.